huaweicloudsdkeihealth 3.1.86__py2.py3-none-any.whl → 3.1.132__py2.py3-none-any.whl

huaweicloudsdkeihealth/v1/model/create_mol_docking_job_request.py

@@ -0,0 +1,139 @@
+# coding: utf-8
+
+import six
+
+from huaweicloudsdkcore.utils.http_utils import sanitize_for_serialization
+
+
+class CreateMolDockingJobRequest:
+
+    """
+    Attributes:
+      openapi_types (dict): The key is attribute name
+                            and the value is attribute type.
+      attribute_map (dict): The key is attribute name
+                            and the value is json key in definition.
+    """
+    sensitive_list = []
+
+    openapi_types = {
+        'eihealth_project_id': 'str',
+        'body': 'CreateMolDockingJobReq'
+    }
+
+    attribute_map = {
+        'eihealth_project_id': 'eihealth_project_id',
+        'body': 'body'
+    }
+
+    def __init__(self, eihealth_project_id=None, body=None):
+        """CreateMolDockingJobRequest
+
+        The model defined in huaweicloud sdk
+
+        :param eihealth_project_id: 平台项目ID。
+        :type eihealth_project_id: str
+        :param body: Body of the CreateMolDockingJobRequest
+        :type body: :class:`huaweicloudsdkeihealth.v1.CreateMolDockingJobReq`
+        """
+        
+        
+
+        self._eihealth_project_id = None
+        self._body = None
+        self.discriminator = None
+
+        self.eihealth_project_id = eihealth_project_id
+        if body is not None:
+            self.body = body
+
+    @property
+    def eihealth_project_id(self):
+        """Gets the eihealth_project_id of this CreateMolDockingJobRequest.
+
+        平台项目ID。
+
+        :return: The eihealth_project_id of this CreateMolDockingJobRequest.
+        :rtype: str
+        """
+        return self._eihealth_project_id
+
+    @eihealth_project_id.setter
+    def eihealth_project_id(self, eihealth_project_id):
+        """Sets the eihealth_project_id of this CreateMolDockingJobRequest.
+
+        平台项目ID。
+
+        :param eihealth_project_id: The eihealth_project_id of this CreateMolDockingJobRequest.
+        :type eihealth_project_id: str
+        """
+        self._eihealth_project_id = eihealth_project_id
+
+    @property
+    def body(self):
+        """Gets the body of this CreateMolDockingJobRequest.
+
+        :return: The body of this CreateMolDockingJobRequest.
+        :rtype: :class:`huaweicloudsdkeihealth.v1.CreateMolDockingJobReq`
+        """
+        return self._body
+
+    @body.setter
+    def body(self, body):
+        """Sets the body of this CreateMolDockingJobRequest.
+
+        :param body: The body of this CreateMolDockingJobRequest.
+        :type body: :class:`huaweicloudsdkeihealth.v1.CreateMolDockingJobReq`
+        """
+        self._body = body
+
+    def to_dict(self):
+        """Returns the model properties as a dict"""
+        result = {}
+
+        for attr, _ in six.iteritems(self.openapi_types):
+            value = getattr(self, attr)
+            if isinstance(value, list):
+                result[attr] = list(map(
+                    lambda x: x.to_dict() if hasattr(x, "to_dict") else x,
+                    value
+                ))
+            elif hasattr(value, "to_dict"):
+                result[attr] = value.to_dict()
+            elif isinstance(value, dict):
+                result[attr] = dict(map(
+                    lambda item: (item[0], item[1].to_dict())
+                    if hasattr(item[1], "to_dict") else item,
+                    value.items()
+                ))
+            else:
+                if attr in self.sensitive_list:
+                    result[attr] = "****"
+                else:
+                    result[attr] = value
+
+        return result
+
+    def to_str(self):
+        """Returns the string representation of the model"""
+        import simplejson as json
+        if six.PY2:
+            import sys
+            reload(sys)
+            sys.setdefaultencoding("utf-8")
+        return json.dumps(sanitize_for_serialization(self), ensure_ascii=False)
+
+    def __repr__(self):
+        """For `print`"""
+        return self.to_str()
+
+    def __eq__(self, other):
+        """Returns true if both objects are equal"""
+        if not isinstance(other, CreateMolDockingJobRequest):
+            return False
+
+        return self.__dict__ == other.__dict__
+
+    def __ne__(self, other):
+        """Returns true if both objects are not equal"""
+        return not self == other

huaweicloudsdkeihealth/v1/model/create_mol_docking_job_response.py

@@ -0,0 +1,145 @@
+# coding: utf-8
+
+import six
+
+from huaweicloudsdkcore.sdk_response import SdkResponse
+from huaweicloudsdkcore.utils.http_utils import sanitize_for_serialization
+
+
+class CreateMolDockingJobResponse(SdkResponse):
+
+    """
+    Attributes:
+      openapi_types (dict): The key is attribute name
+                            and the value is attribute type.
+      attribute_map (dict): The key is attribute name
+                            and the value is json key in definition.
+    """
+    sensitive_list = []
+
+    openapi_types = {
+        'vina_score': 'float',
+        'pose': 'str'
+    }
+
+    attribute_map = {
+        'vina_score': 'vina_score',
+        'pose': 'pose'
+    }
+
+    def __init__(self, vina_score=None, pose=None):
+        """CreateMolDockingJobResponse
+
+        The model defined in huaweicloud sdk
+
+        :param vina_score: 对接打分结果。
+        :type vina_score: float
+        :param pose: 对接构象。
+        :type pose: str
+        """
+        
+        super(CreateMolDockingJobResponse, self).__init__()
+
+        self._vina_score = None
+        self._pose = None
+        self.discriminator = None
+
+        if vina_score is not None:
+            self.vina_score = vina_score
+        if pose is not None:
+            self.pose = pose
+
+    @property
+    def vina_score(self):
+        """Gets the vina_score of this CreateMolDockingJobResponse.
+
+        对接打分结果。
+
+        :return: The vina_score of this CreateMolDockingJobResponse.
+        :rtype: float
+        """
+        return self._vina_score
+
+    @vina_score.setter
+    def vina_score(self, vina_score):
+        """Sets the vina_score of this CreateMolDockingJobResponse.
+
+        对接打分结果。
+
+        :param vina_score: The vina_score of this CreateMolDockingJobResponse.
+        :type vina_score: float
+        """
+        self._vina_score = vina_score
+
+    @property
+    def pose(self):
+        """Gets the pose of this CreateMolDockingJobResponse.
+
+        对接构象。
+
+        :return: The pose of this CreateMolDockingJobResponse.
+        :rtype: str
+        """
+        return self._pose
+
+    @pose.setter
+    def pose(self, pose):
+        """Sets the pose of this CreateMolDockingJobResponse.
+
+        对接构象。
+
+        :param pose: The pose of this CreateMolDockingJobResponse.
+        :type pose: str
+        """
+        self._pose = pose
+
+    def to_dict(self):
+        """Returns the model properties as a dict"""
+        result = {}
+
+        for attr, _ in six.iteritems(self.openapi_types):
+            value = getattr(self, attr)
+            if isinstance(value, list):
+                result[attr] = list(map(
+                    lambda x: x.to_dict() if hasattr(x, "to_dict") else x,
+                    value
+                ))
+            elif hasattr(value, "to_dict"):
+                result[attr] = value.to_dict()
+            elif isinstance(value, dict):
+                result[attr] = dict(map(
+                    lambda item: (item[0], item[1].to_dict())
+                    if hasattr(item[1], "to_dict") else item,
+                    value.items()
+                ))
+            else:
+                if attr in self.sensitive_list:
+                    result[attr] = "****"
+                else:
+                    result[attr] = value
+
+        return result
+
+    def to_str(self):
+        """Returns the string representation of the model"""
+        import simplejson as json
+        if six.PY2:
+            import sys
+            reload(sys)
+            sys.setdefaultencoding("utf-8")
+        return json.dumps(sanitize_for_serialization(self), ensure_ascii=False)
+
+    def __repr__(self):
+        """For `print`"""
+        return self.to_str()
+
+    def __eq__(self, other):
+        """Returns true if both objects are equal"""
+        if not isinstance(other, CreateMolDockingJobResponse):
+            return False
+
+        return self.__dict__ == other.__dict__
+
+    def __ne__(self, other):
+        """Returns true if both objects are not equal"""
+        return not self == other

huaweicloudsdkeihealth/v1/model/create_optm_job_req.py

@@ -21,9 +21,11 @@ class CreateOptmJobReq:
         'smiles': 'str',
         'molecule_file': 'DrugFile',
         'binding_site': 'BindSiteDto',
+        'binding_sites': 'list[BindSiteDto]',
         'weak_constraints': 'list[WeakConstraintDto]',
         'strong_constraints': 'list[StrongConstraintDto]',
         'sampler_mixin_weight': 'float',
+        'base_model_id': 'str',
         'model_ids': 'list[str]',
         'num_trials': 'int'
     }
@@ -33,14 +35,16 @@ class CreateOptmJobReq:
         'smiles': 'smiles',
         'molecule_file': 'molecule_file',
         'binding_site': 'binding_site',
+        'binding_sites': 'binding_sites',
         'weak_constraints': 'weak_constraints',
         'strong_constraints': 'strong_constraints',
         'sampler_mixin_weight': 'sampler_mixin_weight',
+        'base_model_id': 'base_model_id',
         'model_ids': 'model_ids',
         'num_trials': 'num_trials'
     }
 
-    def __init__(self, basic_info=None, smiles=None, molecule_file=None, binding_site=None, weak_constraints=None, strong_constraints=None, sampler_mixin_weight=None, model_ids=None, num_trials=None):
+    def __init__(self, basic_info=None, smiles=None, molecule_file=None, binding_site=None, binding_sites=None, weak_constraints=None, strong_constraints=None, sampler_mixin_weight=None, base_model_id=None, model_ids=None, num_trials=None):
         """CreateOptmJobReq
 
         The model defined in huaweicloud sdk
@@ -53,12 +57,16 @@ class CreateOptmJobReq:
         :type molecule_file: :class:`huaweicloudsdkeihealth.v1.DrugFile`
         :param binding_site: 
         :type binding_site: :class:`huaweicloudsdkeihealth.v1.BindSiteDto`
+        :param binding_sites: 受体列表和受体是二选一的关系，受体列表优先级最高
+        :type binding_sites: list[:class:`huaweicloudsdkeihealth.v1.BindSiteDto`]
         :param weak_constraints: 弱约束集合
         :type weak_constraints: list[:class:`huaweicloudsdkeihealth.v1.WeakConstraintDto`]
         :param strong_constraints: 强约束集合
         :type strong_constraints: list[:class:`huaweicloudsdkeihealth.v1.StrongConstraintDto`]
         :param sampler_mixin_weight: 初始化采样权重，参数范围(0.5, 1)，不包含0.5和1，默认为0.6
         :type sampler_mixin_weight: float
+        :param base_model_id: 基模型id
+        :type base_model_id: str
         :param model_ids: 模型id列表
         :type model_ids: list[str]
         :param num_trials: 生成分子数量
@@ -71,9 +79,11 @@ class CreateOptmJobReq:
         self._smiles = None
         self._molecule_file = None
         self._binding_site = None
+        self._binding_sites = None
         self._weak_constraints = None
         self._strong_constraints = None
         self._sampler_mixin_weight = None
+        self._base_model_id = None
         self._model_ids = None
         self._num_trials = None
         self.discriminator = None
@@ -85,12 +95,16 @@ class CreateOptmJobReq:
             self.molecule_file = molecule_file
         if binding_site is not None:
             self.binding_site = binding_site
+        if binding_sites is not None:
+            self.binding_sites = binding_sites
         if weak_constraints is not None:
             self.weak_constraints = weak_constraints
         if strong_constraints is not None:
             self.strong_constraints = strong_constraints
         if sampler_mixin_weight is not None:
             self.sampler_mixin_weight = sampler_mixin_weight
+        if base_model_id is not None:
+            self.base_model_id = base_model_id
         if model_ids is not None:
             self.model_ids = model_ids
         if num_trials is not None:
@@ -172,6 +186,28 @@ class CreateOptmJobReq:
         """
         self._binding_site = binding_site
 
+    @property
+    def binding_sites(self):
+        """Gets the binding_sites of this CreateOptmJobReq.
+
+        受体列表和受体是二选一的关系，受体列表优先级最高
+
+        :return: The binding_sites of this CreateOptmJobReq.
+        :rtype: list[:class:`huaweicloudsdkeihealth.v1.BindSiteDto`]
+        """
+        return self._binding_sites
+
+    @binding_sites.setter
+    def binding_sites(self, binding_sites):
+        """Sets the binding_sites of this CreateOptmJobReq.
+
+        受体列表和受体是二选一的关系，受体列表优先级最高
+
+        :param binding_sites: The binding_sites of this CreateOptmJobReq.
+        :type binding_sites: list[:class:`huaweicloudsdkeihealth.v1.BindSiteDto`]
+        """
+        self._binding_sites = binding_sites
+
     @property
     def weak_constraints(self):
         """Gets the weak_constraints of this CreateOptmJobReq.
@@ -238,6 +274,28 @@ class CreateOptmJobReq:
         """
         self._sampler_mixin_weight = sampler_mixin_weight
 
+    @property
+    def base_model_id(self):
+        """Gets the base_model_id of this CreateOptmJobReq.
+
+        基模型id
+
+        :return: The base_model_id of this CreateOptmJobReq.
+        :rtype: str
+        """
+        return self._base_model_id
+
+    @base_model_id.setter
+    def base_model_id(self, base_model_id):
+        """Sets the base_model_id of this CreateOptmJobReq.
+
+        基模型id
+
+        :param base_model_id: The base_model_id of this CreateOptmJobReq.
+        :type base_model_id: str
+        """
+        self._base_model_id = base_model_id
+
     @property
     def model_ids(self):
         """Gets the model_ids of this CreateOptmJobReq.